1-(butylcarbamoyl)-6-(3-methylphenyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(butylcarbamoyl)-6-(3-methylphenyl)piperidine-3-carboxylic acid Openeye Name: 1-(butylcarbamoyl)-6-(m-tolyl)piperidine-3-carboxylic acid CAS Name: 1-[butylamino(oxo)methyl]-6-(3-methylphenyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(butylcarbamoyl)-6-(3-methylphenyl)piperidine-3-carboxylic acid Traditional Name: 1-(butylcarbamoyl)-6-(m-tolyl)nipecotic acid Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CC(CCC1C2=CC(=CC=C2)C)C(=O)O

Isomeric SMILES

CCCCNC(=O)N1CC(CCC1C2=CC(=CC=C2)C)C(=O)O

InChI

InChI=1S/C18H26N2O3/c1-3-4-10-19-18(23)20-12-15(17(21)22)8-9-16(20)14-7-5-6-13(2)11-14/h5-7,11,15-16H,3-4,8-10,12H2,1-2H3,(H,19,23)(H,21,22)